SMILES:
COC(=O)c1cc2c(s1)C1CNCC1C2Molecular Processing
Molecular formula
C11H13NO2S
Molecular weight
223.3
Exact mass
223.0667
XLogP
1.39
TPSA
38.33
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
15
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
58.46
Supplementary Information
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